| SpectraBase Spectrum ID |
8CHmhusFe9t |
| Name |
(R,R)-3,4-Dioxybenzoyl-1,5-hexadiene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.120509056 u |
| Formula |
C20H18O4 |
| InChI |
InChI=1S/C20H18O4/c1-3-17(23-19(21)15-11-7-5-8-12-15)18(4-2)24-20(22)16-13-9-6-10-14-16/h3-14,17-18H,1-2H2/t17-,18-/m1/s1 |
| InChIKey |
FOHXXQHTFVVMMS-QZTJIDSGSA-N |
| Molecular Weight |
322.360 g/mol |
| SMILES |
C(O[C@@]([C@](OC(=O)C1=CC=CC=C1)(C=C)[H])(C=C)[H])(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983371 |
